[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[[4-[4-[4-(hydroxymethyl)phenyl]-5-phenyl-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]methylthiocarbamoylmethyl]oxan-4-yl] acetate
Molecular Formula:
C49H57N5O12S
InChI: InChI=1/C49H57N5O12S/c1-30(56)60-29-41-46(62-32(3)58)47(63-33(4)59)45(61-31(2)57)39(64-41)25-42(67)52-26-34-11-17-38(18-12-34)48-65-40(27-53-21-23-54(24-22-53)49-50-19-8-20-51-49)43(36-9-6-5-7-10-36)44(66-48)37-15-13-35(28-55)14-16-37/h5-20,39-41,43-48,55H,21-29H2,1-4H3,(H,52,67)/f/h52H
InChIKey: InChIKey=OPIDNGGAFNCZJM-JDVNFPLTCM
SMILES: CC(=O)OCC1C(C(C(C(O1)CC(=S)NCC2=CC=C(C=C2)C3OC(C(C(O3)C4=CC=C(C=C4)CO)C5=CC=CC=C5)CN6CCN(CC6)C7=NC=CC=N7)OC(=O)C)OC(=O)C)OC(=O)C
Names:
[3,5-diacetyloxy-2-(acetyloxymethyl)-6-[[4-[4-[4-(hydroxymethyl)phenyl]-5-phenyl-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]methylthiocarbamoylmethyl]oxan-4-yl] acetate
Registries:
PubChem CID 4087023
PubChem ID 6004798
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